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2-phenacyl-1,2-benzisothiazolin-3-one, 1,1-dioxide

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2-phenacyl-1,2-benzisothiazolin-3-one, 1,1-dioxide
SpectraBase Compound ID 7yzSIDJqSC3
InChI InChI=1S/C15H11NO4S/c17-13(11-6-2-1-3-7-11)10-16-15(18)12-8-4-5-9-14(12)21(16,19)20/h1-9H,10H2
InChIKey QJWQWSQZQFNGQF-UHFFFAOYSA-N
Mol Weight 301.32 g/mol
Molecular Formula C15H11NO4S
Exact Mass 301.040879 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9xlWtFiiX6B
Name 1,2-benzisothiazol-3(2H)-one, 2-(2-oxo-2-phenylethyl)-, 1,1-dioxide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 301.040879008 u
Formula C15H11NO4S
InChI InChI=1S/C15H11NO4S/c17-13(11-6-2-1-3-7-11)10-16-15(18)12-8-4-5-9-14(12)21(16,19)20/h1-9H,10H2
InChIKey QJWQWSQZQFNGQF-UHFFFAOYSA-N
Molecular Weight 301.316 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_9018
Solvent DMSO-d6
Source Vendor ID: NMR/9254292; Lab Info: SP; Lab Number: SP-X000082